MMsINC Database Search


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MMsINC code: MMs00003130

Type: Neutral
Formula: C₁₇H₂₀N₂O

SMILES:

O=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.349 kcal/mol

Physical Properties
Molecular Weight: 268.36 g/mol	logS: -3.31251	SlogP: 3.0496	Reactive groups: 0

Topological Properties
Globularity: 0.0240614	Sterimol/B1: 2.55391	Sterimol/B2: 3.50762	Sterimol/B3: 4.15988
Sterimol/B4: 5.12345	Sterimol/L: 16.7489

Surface and Volume Properties
Accessible surface: 528.316	Positive charged surface: 398.586	Negative charged surface: 129.73	Volume: 282.875
Hydrophobic surface: 492.711	Hydrophilic surface: 35.605

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: no related molecules available.