MMsINC Database Search


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MMsINC code: MMs01958710

Type: Neutral
Formula: C₂₃H₁₇N₃O₃

SMILES:

O(CC(=O)NC1CC1)c1cc2c3c4n(c2cc1)C(=O)c1c(-c4ncc3)cccc1

InChI:

InChI=1/C23H17N3O3/c27-20(25-13-5-6-13)12-29-14-7-8-19-18(11-14)16-9-10-24-21-15-3-1-2-4-17(15)23(28)26(19)22(16)21/h1-4,7-11,13H,5-6,12H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.082 kcal/mol

Physical Properties
Molecular Weight: 383.407 g/mol	logS: -5.83755	SlogP: 3.5158	Reactive groups: 0

Topological Properties
Globularity: 0.00679347	Sterimol/B1: 2.70926	Sterimol/B2: 2.93249	Sterimol/B3: 3.978
Sterimol/B4: 6.79282	Sterimol/L: 21.1607

Surface and Volume Properties
Accessible surface: 645.025	Positive charged surface: 372.641	Negative charged surface: 254.88	Volume: 353.5
Hydrophobic surface: 492.912	Hydrophilic surface: 152.113

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.