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MMsINC code: MMs01069361

Type: Neutral
Formula: C₂₃H₂₅ClN₄O

SMILES:

Clc1cccc(-n2ncc(C(=O)NCc3ccccc3)c2C2CCNCC2)c1C

InChI:

InChI=1/C23H25ClN4O/c1-16-20(24)8-5-9-21(16)28-22(18-10-12-25-13-11-18)19(15-27-28)23(29)26-14-17-6-3-2-4-7-17/h2-9,15,18,25H,10-14H2,1H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7522 kcal/mol

Physical Properties
Molecular Weight: 408.933 g/mol	logS: -4.72941	SlogP: 4.49752	Reactive groups: 0

Topological Properties
Globularity: 0.0897046	Sterimol/B1: 2.32865	Sterimol/B2: 3.12749	Sterimol/B3: 4.91259
Sterimol/B4: 9.29019	Sterimol/L: 18.3448

Surface and Volume Properties
Accessible surface: 679.112	Positive charged surface: 423.094	Negative charged surface: 256.018	Volume: 395
Hydrophobic surface: 623.113	Hydrophilic surface: 55.999

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs01069362
CHEMDIV-ZINC07000516