MMsINC Database Search


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MMsINC code: MMs00191182

Type: Neutral
Formula: C₂₄H₁₅N₃O₃

SMILES:

O=C1N(C(=O)c2c1cc(cc2)C(=O)Nc1c2c(ccc1)cccc2)c1ncccc1

InChI:

InChI=1/C24H15N3O3/c28-22(26-20-9-5-7-15-6-1-2-8-17(15)20)16-11-12-18-19(14-16)24(30)27(23(18)29)21-10-3-4-13-25-21/h1-14H,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.996 kcal/mol

Physical Properties
Molecular Weight: 393.402 g/mol	logS: -6.65958	SlogP: 4.2877	Reactive groups: 0

Topological Properties
Globularity: 0.00742865	Sterimol/B1: 2.11073	Sterimol/B2: 3.15981	Sterimol/B3: 3.25609
Sterimol/B4: 6.70046	Sterimol/L: 21.0265

Surface and Volume Properties
Accessible surface: 635.831	Positive charged surface: 337.088	Negative charged surface: 288.386	Volume: 359.125
Hydrophobic surface: 517.045	Hydrophilic surface: 118.786

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.