MMsINC Database Search


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MMsINC code: MMs02372759

Type: Neutral
Formula: C₂₄H₂₁N₃O₂

SMILES:

O=C1N(N(C(=O)C1=Cc1ccc(N(C)C)cc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H21N3O2/c1-25(2)19-15-13-18(14-16-19)17-22-23(28)26(20-9-5-3-6-10-20)27(24(22)29)21-11-7-4-8-12-21/h3-17H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.778 kcal/mol

Physical Properties
Molecular Weight: 383.451 g/mol	logS: -5.8429	SlogP: 4.131	Reactive groups: 0

Topological Properties
Globularity: 0.040565	Sterimol/B1: 2.60049	Sterimol/B2: 4.21689	Sterimol/B3: 4.54057
Sterimol/B4: 6.72804	Sterimol/L: 18.259

Surface and Volume Properties
Accessible surface: 649.148	Positive charged surface: 412.479	Negative charged surface: 236.67	Volume: 379.125
Hydrophobic surface: 595.108	Hydrophilic surface: 54.04

Pharmacophoric Properties
Hydrogen bond donors: 0	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.