MMsINC Database Search


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MMsINC code: MMs01178334

Type: Neutral
Formula: C₂₄H₂₃N₃O

SMILES:

O=C(N(Cc1ncccc1)CCc1ccccc1)Cc1c2c([nH]c1)cccc2

InChI:

InChI=1/C24H23N3O/c28-24(16-20-17-26-23-12-5-4-11-22(20)23)27(18-21-10-6-7-14-25-21)15-13-19-8-2-1-3-9-19/h1-12,14,17,26H,13,15-16,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.136 kcal/mol

Physical Properties
Molecular Weight: 369.468 g/mol	logS: -4.26844	SlogP: 4.64324	Reactive groups: 0

Topological Properties
Globularity: 0.171319	Sterimol/B1: 3.041	Sterimol/B2: 4.14763	Sterimol/B3: 5.39154
Sterimol/B4: 9.16071	Sterimol/L: 16.3705

Surface and Volume Properties
Accessible surface: 646.791	Positive charged surface: 389.763	Negative charged surface: 253.299	Volume: 375.625
Hydrophobic surface: 570.681	Hydrophilic surface: 76.11

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.