MMsINC Database Search


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MMsINC code: MMs00766610

Type: Neutral
Formula: C₂₃H₂₁N₃O

SMILES:

O=C(Nc1ccc(cc1)-c1nc2n(c1)C=CC=C2C)c1cc(C)c(cc1)C

InChI:

InChI=1/C23H21N3O/c1-15-6-7-19(13-17(15)3)23(27)24-20-10-8-18(9-11-20)21-14-26-12-4-5-16(2)22(26)25-21/h4-14H,1-3H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.807 kcal/mol

Physical Properties
Molecular Weight: 355.441 g/mol	logS: -5.94568	SlogP: 5.30684	Reactive groups: 0

Topological Properties
Globularity: 0.010283	Sterimol/B1: 1.98267	Sterimol/B2: 2.44595	Sterimol/B3: 3.59
Sterimol/B4: 7.08615	Sterimol/L: 21.0374

Surface and Volume Properties
Accessible surface: 657.392	Positive charged surface: 371.295	Negative charged surface: 286.098	Volume: 358.5
Hydrophobic surface: 597.381	Hydrophilic surface: 60.011

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.