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MMsINC code: MMs03146742

Type: Neutral
Formula: C₁₈H₁₄ClNO₂

SMILES:

Clc1cc(ccc1)-c1nc2c(cc(cc2C)C)c(c1)C(O)=O

InChI:

InChI=1/C18H14ClNO2/c1-10-6-11(2)17-14(7-10)15(18(21)22)9-16(20-17)12-4-3-5-13(19)8-12/h3-9H,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.4729 kcal/mol

Physical Properties
Molecular Weight: 311.768 g/mol	logS: -5.70668	SlogP: 4.87024	Reactive groups: 0

Topological Properties
Globularity: 0.00755146	Sterimol/B1: 2.50104	Sterimol/B2: 2.51242	Sterimol/B3: 5.25489
Sterimol/B4: 6.45318	Sterimol/L: 15.3018

Surface and Volume Properties
Accessible surface: 538.836	Positive charged surface: 257.332	Negative charged surface: 270.32	Volume: 289.375
Hydrophobic surface: 433.754	Hydrophilic surface: 105.082

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

MMs03146743
PUBCHEM-ZINC04651884