MMsINC Database Search


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MMsINC code: MMs01180096

Type: Neutral
Formula: C₂₃H₂₁N₃O₂

SMILES:

o1cc(cc1)CN(C(=O)c1n(cnc1)C)Cc1ccccc1-c1ccccc1

InChI:

InChI=1/C23H21N3O2/c1-25-17-24-13-22(25)23(27)26(14-18-11-12-28-16-18)15-20-9-5-6-10-21(20)19-7-3-2-4-8-19/h2-13,16-17H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.281 kcal/mol

Physical Properties
Molecular Weight: 371.44 g/mol	logS: -5.637	SlogP: 5.4147	Reactive groups: 0

Topological Properties
Globularity: 0.352747	Sterimol/B1: 2.57045	Sterimol/B2: 2.72361	Sterimol/B3: 6.80003
Sterimol/B4: 9.71196	Sterimol/L: 12.6813

Surface and Volume Properties
Accessible surface: 614.25	Positive charged surface: 368.571	Negative charged surface: 243.61	Volume: 364.125
Hydrophobic surface: 562.118	Hydrophilic surface: 52.132

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.