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MMsINC code: MMs03026071

Type: Neutral
Formula: C₁₉H₂₁ClN₂

SMILES:

Clc1cc2N(c3c(C=C(c2cc1)CCN(C)C)cccc3)C

InChI:

InChI=1/C19H21ClN2/c1-21(2)11-10-14-12-15-6-4-5-7-18(15)22(3)19-13-16(20)8-9-17(14)19/h4-9,12-13H,10-11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=184.383 kcal/mol

Physical Properties
Molecular Weight: 312.844 g/mol	logS: -4.26162	SlogP: 4.9136	Reactive groups: 0

Topological Properties
Globularity: 0.17174	Sterimol/B1: 2.14194	Sterimol/B2: 3.80274	Sterimol/B3: 5.5186
Sterimol/B4: 7.83019	Sterimol/L: 14.471

Surface and Volume Properties
Accessible surface: 552.538	Positive charged surface: 361.147	Negative charged surface: 191.391	Volume: 313.625
Hydrophobic surface: 548.57	Hydrophilic surface: 3.968

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

MMs03026072
PUBCHEM-ZINC03627183